calcium;magnesium;fluoro dihydrogen phosphate;hydride

H6CaFMgO4P — CID 174988719

IUPACcalcium;magnesium;fluoro dihydrogen phosphate;hydride
SMILESO=P(O)(O)OF.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.FH2O4P.Mg.4H/c;1-5-6(2,3)4;;;;;/h;(H2,2,3,4);;;;;/q+2;;+2;4*-1
InChIKeyTVTQDVDHPGAZJI-UHFFFAOYSA-N
MW184.40 g/mol
LogP-0.33
Rot. Bonds1

About calcium;magnesium;fluoro dihydrogen phosphate;hydride

calcium;magnesium;fluoro dihydrogen phosphate;hydride (PubChem CID 174988719) has the molecular formula H6CaFMgO4P and a molecular weight of 184.40 g/mol. Its IUPAC name is calcium;magnesium;fluoro dihydrogen phosphate;hydride.

Molecular Properties

Compound Namecalcium;magnesium;fluoro dihydrogen phosphate;hydride
PubChem CID174988719
Molecular FormulaH6CaFMgO4P
Molecular Weight184.40 g/mol
Exact Mass183.95
IUPAC Namecalcium;magnesium;fluoro dihydrogen phosphate;hydride
SMILESO=P(O)(O)OF.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.FH2O4P.Mg.4H/c;1-5-6(2,3)4;;;;;/h;(H2,2,3,4);;;;;/q+2;;+2;4*-1
InChIKeyTVTQDVDHPGAZJI-UHFFFAOYSA-N
XLogP-0.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

calcium;fluoro dihydrogen phosphate;hydride
CID 174626748
sodium;fluoro dihydrogen phosphate;hydride;iron
CID 173004802
fluoro dihydrogen phosphate;platinum
CID 174846501
fluoro dihydrogen phosphate;iron
CID 173042796
ethene;fluoro dihydrogen phosphate
CID 87187087
azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
CID 87442574
chloro(fluorooxy)phosphinic acid;chlorophosphonic acid
CID 175540690
CID 174829679
CID 174829679
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;fluoro dihydrogen phosphate;hydride?
The IUPAC name of calcium;magnesium;fluoro dihydrogen phosphate;hydride (CID 174988719) is calcium;magnesium;fluoro dihydrogen phosphate;hydride.
What is the SMILES notation for calcium;magnesium;fluoro dihydrogen phosphate;hydride?
The canonical SMILES for calcium;magnesium;fluoro dihydrogen phosphate;hydride is O=P(O)(O)OF.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;fluoro dihydrogen phosphate;hydride?
The InChIKey is TVTQDVDHPGAZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.FH2O4P.Mg.4H/c;1-5-6(2,3)4;;;;;/h;(H2,2,3,4);;;;;/q+2;;+2;4*-1.
What are the key properties of calcium;magnesium;fluoro dihydrogen phosphate;hydride?
calcium;magnesium;fluoro dihydrogen phosphate;hydride has a molecular weight of 184.40 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;fluoro dihydrogen phosphate;hydride is sourced from PubChem (CID 174988719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).